CID 135538694

127820-66-0

Structural Information

Molecular Formula
C11H15N5O5
SMILES
CC1=NN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C11H15N5O5/c1-3-5-8(13-11(12)14-9(5)20)16(15-3)10-7(19)6(18)4(2-17)21-10/h4,6-7,10,17-19H,2H2,1H3,(H3,12,13,14,20)/t4-,6-,7-,10-/m1/s1
InChIKey
LGFKBKKBVUCTBK-KQYNXXCUSA-N
Compound name
6-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

297.10733 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.11461 166.6
[M+Na]+ 320.09655 177.6
[M-H]- 296.10005 166.8
[M+NH4]+ 315.14115 177.4
[M+K]+ 336.07049 173.6
[M+H-H2O]+ 280.10459 159.7
[M+HCOO]- 342.10553 181.0
[M+CH3COO]- 356.12118 176.8
[M+Na-2H]- 318.08200 166.0
[M]+ 297.10678 166.8
[M]- 297.10788 166.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.